Dispersion-corrected Mo̸ller–Plesset second-order perturbation theory
نویسندگان
چکیده
منابع مشابه
Dispersion-corrected Møller-Plesset second-order perturbation theory.
We show that the often unsatisfactory performance of Møller-Plesset second-order perturbation theory (MP2) for the dispersion interaction between closed-shell molecules can be rectified by adding a correction Delta C(n)/R(n), to its long-range behavior. The dispersion-corrected MP2 (MP2 + Delta vdW) results are in excellent agreement with the quantum chemistry "gold standard" [coupled cluster t...
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ژورنال
عنوان ژورنال: The Journal of Chemical Physics
سال: 2009
ISSN: 0021-9606
DOI: 10.1063/1.3213194